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75112-74-2 | 2,5-Pyrrolidinedione,3,4-dihydroxy-1-(phenylmethyl)-, (3R,4S)-rel-
CAS No: 75112-74-2 Catalog No: AG0056LI MDL No:
Product Description
Catalog Number:
AG0056LI
Chemical Name:
2,5-Pyrrolidinedione,3,4-dihydroxy-1-(phenylmethyl)-, (3R,4S)-rel-
CAS Number:
75112-74-2
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
IUPAC Name:
(3R,4S)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
InChI:
InChI=1S/C11H11NO4/c13-8-9(14)11(16)12(10(8)15)6-7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2/t8-,9+
InChI Key:
IZBMPGFJNIDMRR-DTORHVGOSA-N
SMILES:
O[C@@H]1C(=O)N(C(=O)[C@@H]1O)Cc1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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